Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | KDM5C | P41229 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.34 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL5494228 | 1.00 | SLC22A6 (0.42) | SLC22A6TDP1ALDH1A1KDM4EKDM6B | |
| Acetoacetic Acid SCHEMBL571326 | 1.00 | SLC22A6 (0.42) | SLC22A6TDP1ALDH1A1KDM4EKDM6B | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL16915288 | 0.87 | LDHA (0.50) | SLC22A6TDP1SMN1; SMN2MAPTLDHA | |
| Acetoacetic Acid SCHEMBL8760340 | 0.85 | KDM4E (0.46) | SLC22A6TDP1ALDH1A1KDM4EKDM6B | |
| Acetoacetic Acid SCHEMBL6837513 | 0.85 | KDM4E (0.46) | SLC22A6TDP1ALDH1A1KDM4EKDM6B | |
| Acetoacetic Acid SCHEMBL18911302 | 0.85 | KDM4E (0.46) | SLC22A6TDP1ALDH1A1KDM4EKDM6B | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL7654603 | 0.85 | SLC22A6 (0.50) | SLC22A6TDP1ALDH1A1SMN1; SMN2MAPT | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL11263025 | 0.85 | SLC22A6 (0.50) | SLC22A6TDP1ALDH1A1SMN1; SMN2MAPT | |
| (R)-3-Hydroxybutanoate SCHEMBL27669012 | 0.85 | SLC22A6 (0.50) | SLC22A6TDP1ALDH1A1SMN1; SMN2MAPT | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL29019982 | 0.85 | SLC22A6 (0.50) | SLC22A6TDP1ALDH1A1SMN1; SMN2MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5126373-A | Ester or diester of 1,3-butanediol or 1,3-pentanediol; side effect reduction | BRUNENGRABER HENRI (US) | 1992-06-30 | — | — | US | disclosed |